Geometry & MOs

Info

ID:

307960

PubChem CID:

125310952

Reduced:

N2O6C29H34 (1)

Stoich.:

A2B6C29D34 (1)

Weight, g/mol:

506.241687

ΔHf, kcal/mol:

-191.83

Dipole, Da:

5.07

IP(EA), eV:

 -8.53(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(4R)-4-ethyl-8,8-dimethyl-2-oxo-3,4,9,10-tetrahydropyrano[2,3-h]chromen-5-yl]oxy]-N-[2-(5-methoxy-2H-indol-3-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC[C@H]1CC(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)NCCC4=C5C=C(C=CC5=NC4)OC)(C)C

DOS

IR

Vibrations